Salanne Lab

Sorbonne University

Ile-de-France (FR1) · France

ERC-funded
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ERC Consolidator Grant · 2017

Accounting for Metallicity, Polarization of the Electrolyte, and Redox reactions in computational Electrochemistry

Applied electrochemistry plays a key role in many technologies, such as batteries, fuel cells, supercapacitors or solar cells. It is therefore at the core of many research programs all over the world. Yet, fundamental electrochemical investigations remain scarce. In particular, electrochemistry is among the fields for which the gap between theory and experiment is the largest. From the computational point of view, there is no molecular dynamics (MD) software devoted to the simulation of electrochemical systems while other fields such as biochemistry (GROMACS) or material science (LAMMPS) have dedicated tools. This is due to the difficulty of accounting for complex effects arising from (i)…

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